(3S)-3-amino-2-ethoxypiperidine-1-carboximidamide

C8H18N4O — CID 131851052

IUPAC(3S)-3-amino-2-ethoxypiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@H](N)C1OCC
InChIInChI=1S/C8H18N4O/c1-2-13-7-6(9)4-3-5-12(7)8(10)11/h6-7H,2-5,9H2,1H3,(H3,10,11)/t6-,7?/m0/s1
InChIKeyWAOLQZQSKKWOOT-PKPIPKONSA-N
MW186.26 g/mol
LogP-0.33
Rot. Bonds2

About (3S)-3-amino-2-ethoxypiperidine-1-carboximidamide

(3S)-3-amino-2-ethoxypiperidine-1-carboximidamide (PubChem CID 131851052) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is (3S)-3-amino-2-ethoxypiperidine-1-carboximidamide.

Molecular Properties

Compound Name(3S)-3-amino-2-ethoxypiperidine-1-carboximidamide
PubChem CID131851052
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name(3S)-3-amino-2-ethoxypiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@H](N)C1OCC
InChIInChI=1S/C8H18N4O/c1-2-13-7-6(9)4-3-5-12(7)8(10)11/h6-7H,2-5,9H2,1H3,(H3,10,11)/t6-,7?/m0/s1
InChIKeyWAOLQZQSKKWOOT-PKPIPKONSA-N
XLogP-0.33
TPSA88.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methylpyrrolidine-1-carboximidamide
CID 60974504
2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 18435489
N-[(2S,3S)-2-butoxy-1-carbamimidoylpiperidin-3-yl]butanamide;hydrochloride
CID 139646660
(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
CID 129495358
(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide
CID 129496372
2-(hydroxymethyl)piperidine-1-carboximidamide
CID 121201331
(2R)-2-methylazetidine-1-carboximidamide
CID 146189041
2-(1-aminoethyl)piperidine-1-carboximidamide
CID 18663754
3-methoxypiperidine-1-carboximidamide
CID 19089238
(3S)-3-methoxypiperidine-1-carboximidamide
CID 129383624
2-[(E)-(dimethylhydrazinylidene)methyl]pyrrolidine-1-carboximidamide
CID 87660327
butanedioic acid;2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 158527240

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-ethoxypiperidine-1-carboximidamide?
The IUPAC name of (3S)-3-amino-2-ethoxypiperidine-1-carboximidamide (CID 131851052) is (3S)-3-amino-2-ethoxypiperidine-1-carboximidamide.
What is the SMILES notation for (3S)-3-amino-2-ethoxypiperidine-1-carboximidamide?
The canonical SMILES for (3S)-3-amino-2-ethoxypiperidine-1-carboximidamide is [H]/N=C(\N)N1CCC[C@H](N)C1OCC.
What is the InChIKey of (3S)-3-amino-2-ethoxypiperidine-1-carboximidamide?
The InChIKey is WAOLQZQSKKWOOT-PKPIPKONSA-N. The full InChI is InChI=1S/C8H18N4O/c1-2-13-7-6(9)4-3-5-12(7)8(10)11/h6-7H,2-5,9H2,1H3,(H3,10,11)/t6-,7?/m0/s1.
What are the key properties of (3S)-3-amino-2-ethoxypiperidine-1-carboximidamide?
(3S)-3-amino-2-ethoxypiperidine-1-carboximidamide has a molecular weight of 186.26 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2-ethoxypiperidine-1-carboximidamide is sourced from PubChem (CID 131851052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).